ergo
basis_func_pair_list.h File Reference

Functions for setting up lists of non-negligible basis function pairs, for 2-electron integrals. More...

#include <vector>
#include "realtype.h"
#include "integral_info.h"
#include "basisinfo.h"

Go to the source code of this file.

Classes

struct  basis_func_index_pair_struct
 

Functions

int get_basis_func_pair_list_2el (const BasisInfoStruct &basisInfo, const IntegralInfo &integralInfo, ergo_real threshold, ergo_real maxDensityMatrixElement, std::vector< basis_func_index_pair_struct > &resultList)
 

Detailed Description

Functions for setting up lists of non-negligible basis function pairs, for 2-electron integrals.

Author
: Elias Rudberg responsible

Function Documentation

◆ get_basis_func_pair_list_2el()